11384163
  -OEChem-05241319002D

 52 62  0     0  0  0  0  0  0999 V2000
    8.0148   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701   -3.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    2.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    2.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0053   -1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1523   -2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4207   -2.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   -2.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4165   -2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6874   -2.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0187    2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7317    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -3.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6267    3.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306   -2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4570    2.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -2.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2206    2.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3275    1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    2.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793   -1.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1982   -3.4874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0462   -1.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6373   -3.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528   -3.0686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7636   -3.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    2.1808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    4.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1901    1.2499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971    3.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718    0.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475    3.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382   -1.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214   -3.6585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6385    3.6585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381   -0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9602   -3.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6366    3.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 33  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  2  0  0  0  0
 17 45  1  0  0  0  0
 18 22  2  0  0  0  0
 18 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 47  1  0  0  0  0
 20 24  2  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  1  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 51  1  0  0  0  0
 24 28  1  0  0  0  0
 24 52  1  0  0  0  0
 25 29  3  0  0  0  0
 26 30  3  0  0  0  0
 27 31  3  0  0  0  0
 28 32  3  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11384163

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1210

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAAAAAAAAAAAAAAAAABgwAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADwCAAAAAAAAAAADAECBCAAAAAAAgAAAICAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H20/c1-2-6-10-14-30-23-26-24(30)28-25(30)27(23)32(26,28)16-12-8-4-3-7-11-15-31-20-17-21(31)19-22(31)18(20)29(17,19)13-9-5-1/h9-28H/b13-9-,14-10-,15-11-,16-12-

> <PUBCHEM_IUPAC_INCHIKEY>
VDFDBIFYCQNLTN-NONDJZLBSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
404.156501

> <PUBCHEM_MOLECULAR_FORMULA>
C32H20

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5012

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC23C4C5C2C6C3C4C56C=CC#CC#CC=CC78C9C2C7C3C8C9C23C=CC#CC#C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C\1=C\C23C4C5C2C6C5(C4C36)/C=C\C#CC#C/C=C\C78C9C2C7C3C2(C9C83)/C=C\C#CC#C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.156501

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$